Structure Database (LMSD)
Common Name
Z-Guggulsterone
Systematic Name
Z-Pregna-4,17(20)-diene-3,16-dione
Synonyms
LM ID
LMST02030342
Formula
Exact Mass
Calculate m/z
312.20893
Sum Composition
Status
Curated
3D model of Z-Guggulsterone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Commiphora mukul
(#2067815)
Magnoliopsida
(#3398)
Chemistry of Ayurvedic crude drugs—I : Guggulu (resin from Commiphora mukul)—1: Steroidal constituents,
Tetrahedron, 1972
Tetrahedron, 1972
String Representations
InChiKey (Click to copy)
WDXRGPWQVHZTQJ-OSJVMJFVSA-N
InChi (Click to copy)
InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
SMILES (Click to copy)
C1C(=O)C=C2CC[C@@]3([H])[C@]4([H])CC(=O)/C(=C\C)/[C@@]4(C)CC[C@]3([H])[C@@]2(C)C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
4
Aromatic Rings
Rotatable Bonds
Van der Waals Molecular Volume
329.44
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
4.64
Molar Refractivity
90.86
Admin
Created at
10th Dec 2025
Updated at
10th Dec 2025